| Author | dc.contributor.author | Cornwell, E. | |
| Author | dc.contributor.author | Cordano, G. | es_CL |
| Admission date | dc.date.accessioned | 2009-05-25T17:42:29Z | |
| Available date | dc.date.available | 2009-05-25T17:42:29Z | |
| Publication date | dc.date.issued | 2004-03 | |
| Cita de ítem | dc.identifier.citation | JOURNAL OF THE CHILEAN CHEMICAL SOCIETY 49(1):95-99 | en |
| Identifier | dc.identifier.issn | 0717-9324 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/120628 | |
| Abstract | dc.description.abstract | Using QSRR modelling, an E index was designed based on the H. P. Schultz MTI index. The E index is a molecular descriptor consisting of a vector and adjacent and distant matrices.
Linear regressions were obtained by means of a QSRR-GLC study of a set of 11 cis and 11 trans alquenes characterized by the E-cis, E-trans indices. The correlation indices (r) were 0.97495 and 0.95767 respectively. It was demonstrated that in the linear regressions above, a smaller r was obtained, when the E index was replaced by the refractive molar index taken as reference (IRM).
The discrimination E values for cis and trans alquenes were obtained by multiplying by (-1) the distance matrix diagonal elements, corresponding to the carbon atoms that support the pi bonds in cis alquenes. | en |
| Lenguage | dc.language.iso | en | en |
| Publisher | dc.publisher | SOCIEDAD CHILENA DE QUIMICA | en |
| Keywords | dc.subject | TOPOLOGICAL ORGANIC-CHEMISTRY | en |
| Título | dc.title | Design of a QSRR-E index with high molecular information content to differenciate cis and trans alquenes. | en |
| Document type | dc.type | Artículo de revista | |
